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CS-W001157 4
Total: USD 88.00

Methyl 5-nitro-1H-indole-2-carboxylate

  • CAS No. 157649-56-4

  • Cat. No. CS-0054228
  • Purity≥97%
  • MDL No.MFCD08234686

*For research and further manufacturing use only, not for direct human use.

Methyl 5-nitro-1H-indole-2-carboxylate|CS-0054228

Structure of 157649-56-4

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General Information

  • CAS No. 157649-56-4
  • Cat. No. CS-0054228
  • Purity ≥97%
  • MDL No. MFCD08234686
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₄
  • Molecular Weight 220.18
  • Synonym(s) Methyl5-nitro-1H-indole-2-carboxylate
  • SMILES O=C(C(N1)=CC2=C1C=CC([N+]([O-])=O)=C2)OC

Synthesis

  • Route1
    • null|null
      98092-65-0
    • ~88%
    • Methyl 5-nitro-1H-indole-2-carboxylate|CS-0054228
      157649-56-4

    References

    • Ranasinghe, Nadeesha; Jones, Graham B. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 6 p. 1740 - 1742
  • Route2
    • null|null
      428861-45-4
    • ~78%
    • Methyl 5-nitro-1H-indole-2-carboxylate|CS-0054228
      157649-56-4

    References

    • Lavrenov, Sergei N.; Lakatosh, Sergei A.; Lysenkova, Ludmila N.; Korolev, Alexander M.; Preobrazhenskaya, Maria N. Synthesis, 2002 , # 3 p. 320 - 322
  • Route3

    References

    • Tetrahedron Letters, , vol. 46, # 51 p. 8877 - 8880

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   85.23
  • LogP   1.8627
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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